2-chloro-5,7-difluoro-3-propylquinoline

C12H10ClF2N — CID 63231572

IUPAC2-chloro-5,7-difluoro-3-propylquinoline
SMILESCCCc1cc2c(F)cc(F)cc2nc1Cl
InChIInChI=1S/C12H10ClF2N/c1-2-3-7-4-9-10(15)5-8(14)6-11(9)16-12(7)13/h4-6H,2-3H2,1H3
InChIKeyWASPKAWSFCLMDG-UHFFFAOYSA-N
MW241.67 g/mol
LogP4.12
Rot. Bonds2

About 2-chloro-5,7-difluoro-3-propylquinoline

2-chloro-5,7-difluoro-3-propylquinoline (PubChem CID 63231572) has the molecular formula C12H10ClF2N and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-chloro-5,7-difluoro-3-propylquinoline.

Molecular Properties

Compound Name2-chloro-5,7-difluoro-3-propylquinoline
PubChem CID63231572
Molecular FormulaC12H10ClF2N
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-chloro-5,7-difluoro-3-propylquinoline
SMILESCCCc1cc2c(F)cc(F)cc2nc1Cl
InChIInChI=1S/C12H10ClF2N/c1-2-3-7-4-9-10(15)5-8(14)6-11(9)16-12(7)13/h4-6H,2-3H2,1H3
InChIKeyWASPKAWSFCLMDG-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(5,7-difluoro-3-propylquinolin-2-yl)hydrazine
CID 63232528
3-tert-butyl-2-chloro-5,7-difluoroquinoline
CID 55185283
(5-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine
CID 107370736
5-bromo-2-chloro-8-fluoro-3-propylquinoline
CID 63530205
2-chloro-5,7-difluoroquinoline-3-carboxylic acid
CID 114553227
1,5-difluoro-2-methoxy-3-propylbenzene
CID 176962400
2-chloro-7-fluoro-8-methyl-3-propylquinoline
CID 63530367
2,5,7-trichloro-3-ethyl-6-fluoroquinoline
CID 107579425
2,3-dichloro-5,7-difluoroquinoxaline
CID 82184445
5,6,7-trifluoro-3-propylquinolin-2-amine
CID 63232437
5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine
CID 107579458
2-chloro-6-methoxy-3-propylquinoline
CID 63231530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,7-difluoro-3-propylquinoline?
The IUPAC name of 2-chloro-5,7-difluoro-3-propylquinoline (CID 63231572) is 2-chloro-5,7-difluoro-3-propylquinoline.
What is the SMILES notation for 2-chloro-5,7-difluoro-3-propylquinoline?
The canonical SMILES for 2-chloro-5,7-difluoro-3-propylquinoline is CCCc1cc2c(F)cc(F)cc2nc1Cl.
What is the InChIKey of 2-chloro-5,7-difluoro-3-propylquinoline?
The InChIKey is WASPKAWSFCLMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N/c1-2-3-7-4-9-10(15)5-8(14)6-11(9)16-12(7)13/h4-6H,2-3H2,1H3.
What are the key properties of 2-chloro-5,7-difluoro-3-propylquinoline?
2-chloro-5,7-difluoro-3-propylquinoline has a molecular weight of 241.67 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,7-difluoro-3-propylquinoline is sourced from PubChem (CID 63231572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).